1VCE

Crystal structure of project ID PH0725 from Pyrococcus horikoshii OT3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	CCD
Collection date	2004-02-17
Detector	RIGAKU JUPITER
Wavelength(s)	0.97938
Spacegroup name	P 41 21 2
Unit cell lengths	104.721, 104.721, 138.672
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.210 - 2.100
R-factor	0.218
Rwork	0.218
R-free	0.25300
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.061	0.540
Number of reflections	45662
<I/σ(I)>	13.3	3.85
Completeness [%]	100.0	100
Redundancy	13.6	14

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	microbach	5.5	291	3.85M Na Formate, 0.1M Acetate, pH 5.5, microbach, temperature 291K